BDBM50363136 CHEMBL455453

SMILES: [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc2OCOc2c1

InChI Key: InChIKey=FMNQGVMNCNMWBE-LREOWRDNSA-N

Data: 2 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50363136   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein phosphatase yopH (Yersinia enterocolitica)	BDBM50363136 (CHEMBL455453) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C16H11NO5/c18-14(12-3-5-13(6-4-12)17(19)20)7-1-11-2-8-15-16(9-11)22-10-21-15/h1-9H,10H2/b7-1+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Competitive inhibition of Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by Line-weaver Burk plot analysis				Eur J Med Chem 64: 35-41 (2013) Article DOI: 10.1016/j.ejmech.2013.04.018 BindingDB Entry DOI: 10.7270/Q2R212R6
					More data for this Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB (Mycobacterium tuberculosis)	BDBM50363136 (CHEMBL455453) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C16H11NO5/c18-14(12-3-5-13(6-4-12)17(19)20)7-1-11-2-8-15-16(9-11)22-10-21-15/h1-9H,10H2/b7-1+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis PTP-B using p-nitrophenyl phosphate as substrate measured for 10 mins by Lineweaver-Burk plot an...				J Med Chem 55: 390-402 (2012) Article DOI: 10.1021/jm2012062 BindingDB Entry DOI: 10.7270/Q2445MZ4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase yopH (Yersinia enterocolitica)	BDBM50363136 (CHEMBL455453) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C16H11NO5/c18-14(12-3-5-13(6-4-12)17(19)20)7-1-11-2-8-15-16(9-11)22-10-21-15/h1-9H,10H2/b7-1+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by spectrophotometry				Eur J Med Chem 64: 35-41 (2013) Article DOI: 10.1016/j.ejmech.2013.04.018 BindingDB Entry DOI: 10.7270/Q2R212R6
					More data for this Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB (Mycobacterium tuberculosis)	BDBM50363136 (CHEMBL455453) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C16H11NO5/c18-14(12-3-5-13(6-4-12)17(19)20)7-1-11-2-8-15-16(9-11)22-10-21-15/h1-9H,10H2/b7-1+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PTP-B using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry				J Med Chem 55: 390-402 (2012) Article DOI: 10.1021/jm2012062 BindingDB Entry DOI: 10.7270/Q2445MZ4
					More data for this Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase (Mycobacterium tuberculosis)	BDBM50363136 (CHEMBL455453) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C16H11NO5/c18-14(12-3-5-13(6-4-12)17(19)20)7-1-11-2-8-15-16(9-11)22-10-21-15/h1-9H,10H2/b7-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry				J Med Chem 55: 390-402 (2012) Article DOI: 10.1021/jm2012062 BindingDB Entry DOI: 10.7270/Q2445MZ4
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50363136 (CHEMBL455453) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C16H11NO5/c18-14(12-3-5-13(6-4-12)17(19)20)7-1-11-2-8-15-16(9-11)22-10-21-15/h1-9H,10H2/b7-1+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of human PTP1B expressed in Escherichia coli BL21 DE3 using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetr...				J Med Chem 55: 390-402 (2012) Article DOI: 10.1021/jm2012062 BindingDB Entry DOI: 10.7270/Q2445MZ4
					More data for this Ligand-Target Pair